Geometry & MOs

Info

ID:

98401

PubChem CID:

50043620

Reduced:

N6O6C41H44 (1)

Stoich.:

A6B6C41D44 (1)

Weight, g/mol:

633.312661

ΔHf, kcal/mol:

-171.91

Dipole, Da:

10.67

IP(EA), eV:

 -8.18(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=CC=C6OC

DOS

IR

Vibrations